Cas no 124549-56-0 (rel-Methyl (2R,5R)-2,3,4,5,6,8-hexahydro-1-methyl-2-(1-methylethyl)-3-oxo-1H-pyrrolo[4,3,2-gh]-1,4-benzodiazonine-5-carboxylate)
![rel-Methyl (2R,5R)-2,3,4,5,6,8-hexahydro-1-methyl-2-(1-methylethyl)-3-oxo-1H-pyrrolo[4,3,2-gh]-1,4-benzodiazonine-5-carboxylate structure](https://ossimg.kuujia.com/scimg/125000/124549-56-0x500.png)
124549-56-0 structure
Product Name:rel-Methyl (2R,5R)-2,3,4,5,6,8-hexahydro-1-methyl-2-(1-methylethyl)-3-oxo-1H-pyrrolo[4,3,2-gh]-1,4-benzodiazonine-5-carboxylate
CAS No:124549-56-0
MF:C18H23N3O3
MW:329.39352440834
CID:6642593
PubChem ID:14432531
Update Time:2024-01-29
rel-Methyl (2R,5R)-2,3,4,5,6,8-hexahydro-1-methyl-2-(1-methylethyl)-3-oxo-1H-pyrrolo[4,3,2-gh]-1,4-benzodiazonine-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- CHEMBL5189746
- DTXSID501103286
- 124549-56-0
- rel-Methyl (2R,5R)-2,3,4,5,6,8-hexahydro-1-methyl-2-(1-methylethyl)-3-oxo-1H-pyrrolo[4,3,2-gh]-1,4-benzodiazonine-5-carboxylate
-
- Inchi： 1S/C18H23N3O3/c1-10(2)16-17(22)20-13(18(23)24-4)8-11-9-19-12-6-5-7-14(15(11)12)21(16)3/h5-7,9-10,13,16,19H,8H2,1-4H3,(H,20,22)/t13-,16-/m0/s1
- InChI Key： UVWFNNYMFSZKHD-BBRMVZONSA-N
- SMILES： O=C1[C@H](C(C)C)N(C)C2C=CC=C3C=2C(=CN3)C[C@@H](C(=O)OC)N1
Computed Properties
- Exact Mass: 329.17394160g/mol
- Monoisotopic Mass: 329.17394160g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 496
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 74.4?2
rel-Methyl (2R,5R)-2,3,4,5,6,8-hexahydro-1-methyl-2-(1-methylethyl)-3-oxo-1H-pyrrolo[4,3,2-gh]-1,4-benzodiazonine-5-carboxylate Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
124549-56-0 (rel-Methyl (2R,5R)-2,3,4,5,6,8-hexahydro-1-methyl-2-(1-methylethyl)-3-oxo-1H-pyrrolo[4,3,2-gh]-1,4-benzodiazonine-5-carboxylate) Related Products
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